SCHEMBL4770985

SCHEMBL4770985

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1n[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.57
SYK P43405 1/20 0.56
TYRO3 Q06418 1/20 0.56
CSNK2A1 P68400 3/20 0.55
FLT3 P36888 10/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
CDK2 P24941 2/20 0.52
CCNA2 P20248 1/20 0.52
CCNA1 P78396 1/20 0.52
RAC1 P63000 1/20 0.51
CHRNA7 P36544 1/20 0.48
HTR3A P46098 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ACKR3 P25106 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL4775088 0.95 MAP4K1 (0.52) MAP4K1SYKTYRO3CSNK2A1FLT3
SCHEMBL4772757 0.81 HRH3 (0.52) NPC1RAB9AACKR3
SCHEMBL4770359 0.78 ALDH1A1 (0.51) CHRNA7NPC1RAB9A
SCHEMBL4772503 0.78 MEN1 (0.45) NPC1RAB9A
SCHEMBL4765386 0.78 TP53 (0.55) NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4768284 0.78 HRH3 (0.46) NPC1RAB9AACKR3
SCHEMBL4768583 0.78 TMPRSS2 (0.62) NPC1RAB9AACKR3
SCHEMBL5823896 0.77 HRH3 (0.54) NPC1RAB9A
SCHEMBL4765564 0.77 HRH3 (0.46) NPC1RAB9A
SCHEMBL4771101 0.76 HRH3 (0.44) NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed